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1,3,5-Methenocyclopenta[cd]pentalene, decahydro-2-(octahydro-1,3,5-methenocyclopenta[cd]pentalen-2(1H)-ylidene)-, stereoisomer
SpectraBase Compound ID CTO9t2wenJR
InChI InChI=1S/C22H24/c1-5-6-2-10-13(5)17-9(1)14(6)18(10)21(17)22-19-11-3-7-8-4-12(15(7)19)20(22)16(8)11/h5-20H,1-4H2/b22-21-/t5-,6?,7?,8-,9+,10+,11+,12+,13-,14?,15?,16-,17-,18-,19-,20-/m1/s1
InChIKey JIKCJSPNHISFEM-MUSFIPJISA-N
Mol Weight 288.43 g/mol
Molecular Formula C22H24
Exact Mass 288.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPqs8TeP9hb
Name 1,3,5-Methenocyclopenta[cd]pentalene, decahydro-2-(octahydro-1,3,5-methenocyclopenta[cd]pentalen-2(1H)-ylidene)-, stereoisomer
CAS Registry Number 124816-09-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24
InChI InChI=1S/C22H24/c1-5-6-2-10-13(5)17-9(1)14(6)18(10)21(17)22-19-11-3-7-8-4-12(15(7)19)20(22)16(8)11/h5-20H,1-4H2/b22-21-/t5-,6?,7?,8-,9+,10+,11+,12+,13-,14?,15?,16-,17-,18-,19-,20-/m1/s1
InChIKey JIKCJSPNHISFEM-MUSFIPJISA-N
Molecular Weight 288.434 g/mol
SMILES [C@@]12(\C(=C\3[C@]4(C5C6C[C@]4([C@@]4([C@]3([C@]5(C[C@]64[H])[H])[H])[H])[H])[H])[C@]3(C4[C@@]2(C[C@]2([C@@]1([C@@]3(CC42)[H])[H])[H])[H])[H])[H]
SPLASH splash10-00di-0090000000-5bf5fe79fd67375d594c
Source of Spectrum C-112-3527-2
Synonyms dl-1,3,5-methenocyclopenta[cd]pentalene,decahydro-2-(octahydro-1,3,5-methenocyclopenta[cd]pentalen]-, 4-{pentacyclo[6.3.0.0(2,6).0(3,10).0(5,9)]undecan-4-ylidene}pentacyclo[6.3.0.0(2,6).0(3,10).0(5,9)]undecane meso-1,3,5-methenocyclopenta[cd]pentalene, decahydro-2-(octahydro-1,3,5-methenocyclopenta[cd]pentalen)-,
Wiley ID 1292373